SCHEMBL1848799

SCHEMBL1848799

CCOC(=O)C1CCC(NCc2ccccc2)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CCR8 P51685 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
HTT P42858 1/20 0.41
PPID Q08752 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12035501 0.82 CPB1 (0.57) PKMNPSR1ALDH1A1MAPT
SCHEMBL18616977 0.80 PKM (0.49) MEN1KMT2APKMNPSR1LMNA
SCHEMBL6753494 0.79 FUCA1 (0.45) FUCA1PKMNPSR1ALDH1A1HSD17B10
SCHEMBL31285384 0.77 SMN1; SMN2 (0.42) FUCA1MEN1KMT2APKMNPSR1
SCHEMBL4489378 0.76 CTSB (0.47) PKMNPSR1ALDH1A1HSD17B10MAPT
SCHEMBL7890595 0.76 CTSB (0.47) PKMNPSR1ALDH1A1HSD17B10MAPT
SCHEMBL13282255 0.76 CTSB (0.47) PKMNPSR1ALDH1A1HSD17B10MAPT
SCHEMBL16674651 0.75 CPB1 (0.55) PKMNPSR1ALDH1A1MAPT
SCHEMBL31368058 0.75 PKM (0.46) MEN1KMT2APKMNPSR1LMNA
SCHEMBL28315281 0.74 PPID (0.47) FUCA1MEN1KMT2APKMNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US disclosed
US-8614213-B2 Cyclohexyl amide derivatives and their use as CRF-1 receptor antagonists NOVARTIS AG (CH) 2013-12-24 US disclosed
US-8273900-B2 Organic compounds NOVARTIS AG (CH) 2012-09-25 US disclosed
US-20110152261-A1 Organic compounds NOVARTIS AG (CH) 2011-06-23 US disclosed
EP-2323970-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS Novartis AG (CH) 2011-05-25 EP disclosed
WO-2010015655-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100035898-A1 Organic compounds CRH, CRHR1, CRHR2 FUCA1 3808/4885MEN1 1261/4885KMT2A 3893/4885
US-20110152261-A1 Organic compounds CRH, CRHR1, CRHR2 FUCA1 3648/4885MEN1 1219/4885KMT2A 3887/4885
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists CRHR1, CRH, CRHR2 FUCA1 3342/4885MEN1 2153/4885KMT2A 2583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.